SCHEMBL21287461

SCHEMBL21287461

Cc1cc(N)nc(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.44
NOS3 P29474 6/20 0.44
NOS1 P29475 5/20 0.44
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PRMT5 O14744 1/20 0.37
CYP3A4 P08684 2/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CD44 P16070 1/20 0.36
REN P00797 1/20 0.36
IDO1 P14902 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29721960 1.00 NOS2 (0.44) NOS2NOS3NOS1BACE1ALDH1A1
SCHEMBL23147910 0.81 NOS2 (0.39) NOS2NOS3NOS1BACE1CYP3A4
SCHEMBL21287270 0.81 NOS3 (0.41) NOS2NOS3NOS1BACE1ALDH1A1
SCHEMBL29721971 0.81 NOS2 (0.39) NOS2NOS3NOS1BACE1CYP3A4
SCHEMBL32684056 0.77 NOS2 (0.37) NOS2NOS3NOS1ALDH1A1GAA
SCHEMBL24649102 0.77 NOS3 (0.38) NOS2NOS3NOS1BACE1ALDH1A1
SCHEMBL17446861 0.76 NOS2 (0.40) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL22289594 0.75 CYP3A4 (0.40) ALDH1A1GAAMAPTCYP3A4CHRM1
SCHEMBL21516636 0.75 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4CHRM1ALOX15
SCHEMBL5758060 0.75 NOS2 (0.48) NOS2NOS3NOS1BACE1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 US disclosed
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-01-05 US disclosed
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
WO-2019158019-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海青煜医药科技有限公司 2019-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230002372-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS AZI2, AADAC, TPMT NOS2 1190/4885NOS3 2157/4885NOS1 2470/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NOS2 4765/4885NOS3 4762/4885NOS1 4692/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.